Crystal structure of the branched-chain polyamine synthase from thermococcus kodakarensis (tk-bpsa) in complex with N4- BIS(AMINOPROPYL)SPERMIDINE and 5'-methylthioadenosine

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Ligands and binding sites

• MTA · 5'-deoxy-5'-methylthioadenosine · ligand · 2 copies · chains A, B
• B5L · N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium · ligand · 2 copies · chains A, B
• FE · Fe (III) ion · metal · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 2531 Ų buried · 44 hydrogen bonds · protein-protein

Compared structures

• 6J26 · Crystal structure of the branched-chain polyamine synthase from Thermococcus kodakarensis… · the same entry in another collection · chain A against A, TM-score 1.00
• Q5JIZ3 · AlphaFold monomer V2.0 prediction for N(4)-BIS(AMINOPROPYL)SPERMIDINE synthase (Q5JIZ3) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q5JIZ3
• Elsewhere: RCSB PDB 6J26 · PDBe 6J26 · UniProt Q5JIZ3